BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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lignin_cw_compound_2034 (C21 H20 O8)

bmse010474 Data

Entry STAR file: bmse010474.str

NMR-STAR interactive viewer

Authors: Sally Ralph, John Ralph, Larry L. Landucci

From: NMR Database of Lignin and Cell Wall Model Compounds.

Natural Isotopic formula weight: 400.3787

This is of the category: b-b Dimers

Concentration: Saturated (Source: John Ralph Lab)

Spectrometer: Bruker DRX - 360 MHz

Graphical representations:

View large 3D structure

lignin_cw_compound_2034 image

Assigned chemical shifts

Solvent: CDCl3
Atom IDAuthor NomenclatureValueAmbiguity Code
C3BGOMe52.981
C18BB53.491
C2B3OMe55.971
C1A3OMe55.971
C19BA80.221
C10B2107.651
C9A2112.041
C7B5114.781
C6A5114.921
C5B6118.221
C13B118.381
C11A1125.661
C4A6125.591
C12B1131.081
C8A141.061
C15B4146.121
C16A3146.771
C17B3146.891
C14A4148.391
C20G170.771
C21BG171.231

Solvent: Acetone
Atom IDAuthor NomenclatureValueAmbiguity Code
C3BGOMe53.161
C18BB53.781
C2B3OMe56.231
C1A3OMe56.261
C19BA80.971
C10B2110.121
C9A2113.781
C7B5116.041
C6A5116.241
C5B6119.231
C13B120.031
C11A1126.381
C4A6126.421
C12B1132.081
C8A140.751
C15B4147.991
C16A3148.521
C17B3148.611
C14A4150.241
C20G171.451
C21BG171.561
H38BGOMe3.731
H37BGOMe3.731
H36BGOMe3.731
H34B3OMe3.811
H33B3OMe3.811
H35B3OMe3.811
H30A3OMe3.881
H31A3OMe3.881
H32A3OMe3.881
H46BB4.391
H47BA5.721
H42B56.821
H40B66.821
H41A56.91
H45B26.971
H39A67.171
H44A27.281
H43A7.621

Solvent: DMSO
Atom IDAuthor NomenclatureValueAmbiguity Code
C3BGOMe51.981
C18BB52.751
C2B3OMe55.461
C1A3OMe55.621
C19BA79.741
C10B2110.261
C9A2113.481
C7B5115.531
C6A5115.681
C5B6118.261
C13B118.341
C11A1124.481
C4A6125.441
C12B1130.021
C8A139.931
C15B4147.111
C16A3147.691
C17B3147.711
C14A4149.621
C20G170.531
C21BG170.701